Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'takaishi' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509364 (CHEMBL4463968) Show SMILES C[C@H]1CN(CCN1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C28H31F3N4O6S/c1-16-14-34(12-11-33(16)3)23-8-6-20-19-9-10-35(15-21(19)27(37)40-25(20)17(23)2)26(36)18-5-7-22(32-42(4,38)39)24(13-18)41-28(29,30)31/h5-8,13,16,32H,9-12,14-15H2,1-4H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509346 (CHEMBL4470947) Show SMILES C[C@H]1CN(CCN1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C27H31ClN4O5S/c1-16-14-31(12-11-30(16)3)24-8-6-20-19-9-10-32(15-21(19)27(34)37-25(20)17(24)2)26(33)18-5-7-23(22(28)13-18)29-38(4,35)36/h5-8,13,16,29H,9-12,14-15H2,1-4H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509358 (CHEMBL4534641) Show SMILES OC(=O)C(F)(F)F.CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc2NS(=O)(=O)Cc2c1 Show InChI InChI=1S/C26H28N4O5S/c1-16-23(29-11-9-28(2)10-12-29)6-4-20-19-7-8-30(14-21(19)26(32)35-24(16)20)25(31)17-3-5-22-18(13-17)15-36(33,34)27-22/h3-6,13,27H,7-12,14-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509362 (CHEMBL4483030) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1 Show InChI InChI=1S/C27H29F3N4O6S/c1-16-22(33-12-10-32(2)11-13-33)7-5-19-18-8-9-34(15-20(18)26(36)39-24(16)19)25(35)17-4-6-21(31-41(3,37)38)23(14-17)40-27(28,29)30/h4-7,14,31H,8-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50366241 (CHEMBL297624 | L-652731) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1CC[C@@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C22H28O7/c1-23-17-9-13(10-18(24-2)21(17)27-5)15-7-8-16(29-15)14-11-19(25-3)22(28-6)20(12-14)26-4/h9-12,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055488 (CHEMBL148491 | Carbonic acid methyl ester (E)-(1R,...) Show SMILES COC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1C2=O |t:18| Show InChI InChI=1S/C22H34O5/c1-14-7-6-11-22(4)19(27-22)18(23)16-9-8-15(2)21(3,12-10-14)17(16)13-26-20(24)25-5/h7,15-17,19H,6,8-13H2,1-5H3/b14-7+/t15-,16-,17+,19-,21+,22-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055491 ((E)-(1R,2R,3R,5R,12S,13R,16S)-16-(Isoxazol-3-yloxy...) Show SMILES C[C@@H]1CC[C@@H]2[C@H](COc3ccon3)[C@@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1[C@@H]2O |t:20| Show InChI InChI=1S/C23H35NO4/c1-15-6-5-11-23(4)21(28-23)20(25)17-8-7-16(2)22(3,12-9-15)18(17)14-26-19-10-13-27-24-19/h6,10,13,16-18,20-21,25H,5,7-9,11-12,14H2,1-4H3/b15-6+/t16-,17-,18+,20-,21-,22+,23-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509354 (CHEMBL4542665) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Br)c1 Show InChI InChI=1S/C26H29BrN4O5S/c1-16-23(30-12-10-29(2)11-13-30)7-5-19-18-8-9-31(15-20(18)26(33)36-24(16)19)25(32)17-4-6-22(21(27)14-17)28-37(3,34)35/h4-7,14,28H,8-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509356 (CHEMBL4584730) Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C28H33ClN4O5S/c1-16-13-33(14-17(2)31(16)4)25-9-7-21-20-10-11-32(15-22(20)28(35)38-26(21)18(25)3)27(34)19-6-8-24(23(29)12-19)30-39(5,36)37/h6-9,12,16-17,30H,10-11,13-15H2,1-5H3/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509360 (CHEMBL4538356) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C26H29FN4O5S/c1-16-23(30-12-10-29(2)11-13-30)7-5-19-18-8-9-31(15-20(18)26(33)36-24(16)19)25(32)17-4-6-22(21(27)14-17)28-37(3,34)35/h4-7,14,28H,8-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509353 (CHEMBL4546647) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C26H29ClN4O5S/c1-16-23(30-12-10-29(2)11-13-30)7-5-19-18-8-9-31(15-20(18)26(33)36-24(16)19)25(32)17-4-6-22(21(27)14-17)28-37(3,34)35/h4-7,14,28H,8-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509350 (CHEMBL4441993) Show SMILES Cl.CN(C)CCOc1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H26N2O6/c1-15-21(32-13-12-26(2)3)9-8-19-18-10-11-27(14-20(18)25(31)33-22(15)19)23(28)16-4-6-17(7-5-16)24(29)30/h4-9H,10-14H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055482 ((E)-(1R,3S,5R,12S,13R,16S)-16-(Isoxazol-3-yloxymet...) Show SMILES C[C@@H]1CC[C@@H]2[C@H](COc3ccon3)[C@@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1C2=O |t:20| Show InChI InChI=1S/C23H33NO4/c1-15-6-5-11-23(4)21(28-23)20(25)17-8-7-16(2)22(3,12-9-15)18(17)14-26-19-10-13-27-24-19/h6,10,13,16-18,21H,5,7-9,11-12,14H2,1-4H3/b15-6+/t16-,17-,18+,21-,22+,23-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509351 (CHEMBL4460077) Show SMILES OC(=O)C(F)(F)F.CN(C)CCOc1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc2NS(=O)(=O)Cc2c1 Show InChI InChI=1S/C25H27N3O6S/c1-15-22(33-11-10-27(2)3)7-5-19-18-8-9-28(13-20(18)25(30)34-23(15)19)24(29)16-4-6-21-17(12-16)14-35(31,32)26-21/h4-7,12,26H,8-11,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055479 (Acetic acid (E)-(1R,2R,3R,5R,12S,13R,16S)-2-hydrox...) Show SMILES C[C@@H]1CC[C@@H]2[C@H](COC(C)=O)[C@@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1[C@@H]2O |t:17| Show InChI InChI=1S/C22H36O4/c1-14-7-6-11-22(5)20(26-22)19(24)17-9-8-15(2)21(4,12-10-14)18(17)13-25-16(3)23/h7,15,17-20,24H,6,8-13H2,1-5H3/b14-7+/t15-,17-,18+,19-,20-,21+,22-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509355 (CHEMBL4551634) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1cc(Cl)cc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C26H29ClN4O5S/c1-16-23(30-10-8-29(2)9-11-30)5-4-21-20-6-7-31(15-22(20)26(33)36-24(16)21)25(32)17-12-18(27)14-19(13-17)28-37(3,34)35/h4-5,12-14,28H,6-11,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens (Human))	BDBM50535669 (CHEMBL1233930) Show SMILES Nc1nc(O)c2N3[C@@H](CN(C3=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n1 |r| Show InChI InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of His-tagged human MTHFD1 ( 1 to 306 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before folitixorin and ...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055489 ((E)-(1R,3S,5R,12S,13R,16S)-5,9,12,13-Tetramethyl-2...) Show SMILES C[C@@H]1CC[C@@H]2[C@H](C=O)[C@@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1C2=O |t:14| Show InChI InChI=1S/C20H30O3/c1-13-6-5-10-20(4)18(23-20)17(22)15-8-7-14(2)19(3,11-9-13)16(15)12-21/h6,12,14-16,18H,5,7-11H2,1-4H3/b13-6+/t14-,15-,16+,18-,19+,20-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055493 (CHEMBL148549 | Carbonic acid (E)-(1R,2R,3R,5R,12S,...) Show SMILES COC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1[C@@H]2O |t:18| Show InChI InChI=1S/C22H36O5/c1-14-7-6-11-22(4)19(27-22)18(23)16-9-8-15(2)21(3,12-10-14)17(16)13-26-20(24)25-5/h7,15-19,23H,6,8-13H2,1-5H3/b14-7+/t15-,16-,17+,18-,19-,21+,22-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509359 (CHEMBL4474051) Show SMILES C[C@@H]1CN(CCN1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C27H31ClN4O5S/c1-16-14-31(12-11-30(16)3)24-8-6-20-19-9-10-32(15-21(19)27(34)37-25(20)17(24)2)26(33)18-5-7-23(22(28)13-18)29-38(4,35)36/h5-8,13,16,29H,9-12,14-15H2,1-4H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055483 (CHEMBL151310 | Dimethyl-carbamic acid (E)-(1R,3S,5...) Show SMILES C[C@@H]1CC[C@@H]2[C@H](COC(=O)N(C)C)[C@@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1C2=O |t:19| Show InChI InChI=1S/C23H37NO4/c1-15-8-7-12-23(4)20(28-23)19(25)17-10-9-16(2)22(3,13-11-15)18(17)14-27-21(26)24(5)6/h8,16-18,20H,7,9-14H2,1-6H3/b15-8+/t16-,17-,18+,20-,22+,23-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055495 (CHEMBL151075 | Dimethyl-carbamic acid (E)-(1R,2R,3...) Show SMILES C[C@@H]1CC[C@@H]2[C@H](COC(=O)N(C)C)[C@@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1[C@@H]2O |t:19| Show InChI InChI=1S/C23H39NO4/c1-15-8-7-12-23(4)20(28-23)19(25)17-10-9-16(2)22(3,13-11-15)18(17)14-27-21(26)24(5)6/h8,16-20,25H,7,9-14H2,1-6H3/b15-8+/t16-,17-,18+,19-,20-,22+,23-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509352 (CHEMBL4451401) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C26H30N4O5S/c1-17-23(29-14-12-28(2)13-15-29)9-8-21-20-10-11-30(16-22(20)26(32)35-24(17)21)25(31)18-4-6-19(7-5-18)27-36(3,33)34/h4-9,27H,10-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509363 (CHEMBL4467997) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H25N3O5/c1-26-10-12-27(13-11-26)18-6-7-20-19-8-9-28(15-21(19)25(32)33-22(20)14-18)23(29)16-2-4-17(5-3-16)24(30)31/h2-7,14H,8-13,15H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055492 (CHEMBL147337 | Propionic acid (E)-(1R,2R,3R,5R,12S...) Show SMILES CCC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1[C@@H]2O |t:18| Show InChI InChI=1S/C23H38O4/c1-6-19(24)26-14-18-17-10-9-16(3)22(18,4)13-11-15(2)8-7-12-23(5)21(27-23)20(17)25/h8,16-18,20-21,25H,6-7,9-14H2,1-5H3/b15-8+/t16-,17-,18+,20-,21-,22+,23-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509347 (CHEMBL4526400) Show SMILES CN(C)CCOc1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H24N2O6/c1-25(2)11-12-31-17-7-8-19-18-9-10-26(14-20(18)24(30)32-21(19)13-17)22(27)15-3-5-16(6-4-15)23(28)29/h3-8,13H,9-12,14H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509344 (CHEMBL4460238) Show SMILES CN(C)Cc1ccc(cc1)-c1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H26N2O5/c1-30(2)16-18-3-5-19(6-4-18)22-11-12-24-23-13-14-31(17-25(23)29(35)36-26(24)15-22)27(32)20-7-9-21(10-8-20)28(33)34/h3-12,15H,13-14,16-17H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509348 (CHEMBL4458187) Show SMILES CN(C)CCCOc1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H26N2O6/c1-26(2)11-3-13-32-18-8-9-20-19-10-12-27(15-21(19)25(31)33-22(20)14-18)23(28)16-4-6-17(7-5-16)24(29)30/h4-9,14H,3,10-13,15H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509343 (CHEMBL4472668) Show SMILES CN1CCC(CC1)Oc1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H26N2O6/c1-27-11-8-18(9-12-27)33-19-6-7-21-20-10-13-28(15-22(20)26(32)34-23(21)14-19)24(29)16-2-4-17(5-3-16)25(30)31/h2-7,14,18H,8-13,15H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509342 (CHEMBL4438430) Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(=O)N1CCc2c(C1)c(=O)oc1c(C)c(ccc21)N1CCN(C)CC1 Show InChI InChI=1S/C27H32N4O6S/c1-17-23(30-13-11-29(2)12-14-30)8-6-20-19-9-10-31(16-21(19)27(33)37-25(17)20)26(32)18-5-7-22(24(15-18)36-3)28-38(4,34)35/h5-8,15,28H,9-14,16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055487 (Acetic acid (E)-(1R,3S,5R,12S,13R,16S)-5,9,12,13-t...) Show SMILES C[C@@H]1CC[C@@H]2[C@H](COC(C)=O)[C@@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1C2=O |t:17| Show InChI InChI=1S/C22H34O4/c1-14-7-6-11-22(5)20(26-22)19(24)17-9-8-15(2)21(4,12-10-14)18(17)13-25-16(3)23/h7,15,17-18,20H,6,8-13H2,1-5H3/b14-7+/t15-,17-,18+,20-,21+,22-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509345 (CHEMBL4592118) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(C)c1 Show InChI InChI=1S/C27H32N4O5S/c1-17-15-19(5-7-23(17)28-37(4,34)35)26(32)31-10-9-20-21-6-8-24(30-13-11-29(3)12-14-30)18(2)25(21)36-27(33)22(20)16-31/h5-8,15,28H,9-14,16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055484 (CHEMBL421954 | Carbonic acid phenyl ester (E)-(1R,...) Show SMILES C[C@@H]1CC[C@@H]2[C@H](COC(=O)Oc3ccccc3)[C@@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1C2=O |t:24| Show InChI InChI=1S/C27H36O5/c1-18-9-8-15-27(4)24(32-27)23(28)21-13-12-19(2)26(3,16-14-18)22(21)17-30-25(29)31-20-10-6-5-7-11-20/h5-7,9-11,19,21-22,24H,8,12-17H2,1-4H3/b18-9+/t19-,21-,22+,24-,26+,27-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens (Human))	BDBM50509364 (CHEMBL4463968) Show SMILES C[C@H]1CN(CCN1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C28H31F3N4O6S/c1-16-14-34(12-11-33(16)3)23-8-6-20-19-9-10-35(15-21(19)27(37)40-25(20)17(23)2)26(36)18-5-7-22(32-42(4,38)39)24(13-18)41-28(29,30)31/h5-8,13,16,32H,9-12,14-15H2,1-4H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535669 (CHEMBL1233930) Show SMILES Nc1nc(O)c2N3[C@@H](CN(C3=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n1 |r| Show InChI InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	663	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of His-tagged human MTHFD2 ( 36 to 350 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before folitixorin and...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535650 (CHEMBL4540255) Show SMILES OC(=O)c1ccc(cc1Cl)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C21H16ClN3O4/c22-16-10-13(6-7-14(16)21(28)29)20(27)25-9-8-17-15(11-25)19(26)24-18(23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,28,29)(H,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055494 (CHEMBL147079 | Propionic acid (E)-(1R,3S,5R,12S,13...) Show SMILES CCC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1C2=O |t:18| Show InChI InChI=1S/C23H36O4/c1-6-19(24)26-14-18-17-10-9-16(3)22(18,4)13-11-15(2)8-7-12-23(5)21(27-23)20(17)25/h8,16-18,21H,6-7,9-14H2,1-5H3/b15-8+/t16-,17-,18+,21-,22+,23-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens (Human))	BDBM50509346 (CHEMBL4470947) Show SMILES C[C@H]1CN(CCN1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C27H31ClN4O5S/c1-16-14-31(12-11-30(16)3)24-8-6-20-19-9-10-32(15-21(19)27(34)37-25(20)17(24)2)26(33)18-5-7-23(22(28)13-18)29-38(4,35)36/h5-8,13,16,29H,9-12,14-15H2,1-4H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50055480 ((E)-(1R,3S,5R,12S,13R,16S)-16-Hydroxymethyl-5,9,12...) Show SMILES C[C@@H]1CC[C@@H]2[C@H](CO)[C@@]1(C)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1C2=O |t:14| Show InChI InChI=1S/C20H32O3/c1-13-6-5-10-20(4)18(23-20)17(22)15-8-7-14(2)19(3,11-9-13)16(15)12-21/h6,14-16,18,21H,5,7-12H2,1-4H3/b13-6+/t14-,15-,16+,18-,19+,20-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF				J Med Chem 39: 5281-4 (1997) Article DOI: 10.1021/jm950640q BindingDB Entry DOI: 10.7270/Q2FF3T06
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509349 (CHEMBL4436668) Show SMILES Cc1cccc2oc(=O)c3CN(CCc3c12)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H17NO5/c1-12-3-2-4-17-18(12)15-9-10-22(11-16(15)21(26)27-17)19(23)13-5-7-14(8-6-13)20(24)25/h2-8H,9-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535665 (CHEMBL4443536) Show SMILES OC(=O)c1ccc(C(=O)N2CCc3nc([nH]c(=O)c3C2)-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H19N3O4/c29-23-20-14-28(13-12-21(20)26-22(27-23)15-6-2-1-3-7-15)24(30)18-10-11-19(25(31)32)17-9-5-4-8-16(17)18/h1-11H,12-14H2,(H,31,32)(H,26,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535659 (CHEMBL4474283) Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)oc1ccccc21 Show InChI InChI=1S/C20H15NO5/c22-18(12-5-7-13(8-6-12)19(23)24)21-10-9-14-15-3-1-2-4-17(15)26-20(25)16(14)11-21/h1-8H,9-11H2,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535658 (CHEMBL4465667) Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)n1CCCCn21 Show InChI InChI=1S/C18H19N3O4/c22-16(12-3-5-13(6-4-12)18(24)25)19-10-7-15-14(11-19)17(23)21-9-2-1-8-20(15)21/h3-6H,1-2,7-11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535670 (CHEMBL4448164) Show SMILES Cn1c2CCN(Cc2c(=O)cc1-c1ccccc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H20N2O4/c1-24-19-11-12-25(22(27)16-7-9-17(10-8-16)23(28)29)14-18(19)21(26)13-20(24)15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535653 (CHEMBL4530832) Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C21H17N3O4/c25-19-16-12-24(20(26)14-6-8-15(9-7-14)21(27)28)11-10-17(16)22-18(23-19)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,27,28)(H,22,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens (Human))	BDBM50509362 (CHEMBL4483030) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1 Show InChI InChI=1S/C27H29F3N4O6S/c1-16-22(33-12-10-32(2)11-13-33)7-5-19-18-8-9-34(15-20(18)26(36)39-24(16)19)25(35)17-4-6-21(31-41(3,37)38)23(14-17)40-27(28,29)30/h4-7,14,31H,8-13,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535676 (CHEMBL4470717) Show SMILES Nc1cc(ccc1C(O)=O)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C21H18N4O4/c22-16-10-13(6-7-14(16)21(28)29)20(27)25-9-8-17-15(11-25)19(26)24-18(23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11,22H2,(H,28,29)(H,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50509361 (CHEMBL4441792) Show SMILES CN(C)c1ccc(cc1)-c1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H24N2O5/c1-29(2)21-10-7-17(8-11-21)20-9-12-23-22-13-14-30(16-24(22)28(34)35-25(23)15-20)26(31)18-3-5-19(6-4-18)27(32)33/h3-12,15H,13-14,16H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens (Human))	BDBM50509354 (CHEMBL4542665) Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Br)c1 Show InChI InChI=1S/C26H29BrN4O5S/c1-16-23(30-12-10-29(2)11-13-30)7-5-19-18-8-9-31(15-20(18)26(33)36-24(16)19)25(32)17-4-6-22(21(27)14-17)28-37(3,34)35/h4-7,14,28H,8-13,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD				J Med Chem 62: 10204-10220 (2019) Article DOI: 10.1021/acs.jmedchem.9b01113 BindingDB Entry DOI: 10.7270/Q2BC42TM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535674 (CHEMBL4538051) Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)[nH]c1ccccc21 Show InChI InChI=1S/C20H16N2O4/c23-18-16-11-22(19(24)12-5-7-13(8-6-12)20(25)26)10-9-14(16)15-3-1-2-4-17(15)21-18/h1-8H,9-11H2,(H,21,23)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair

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